0 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 MC429085 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.781 N=C(N)C1=NC2=CC=NC=C2C=C1 MC121311 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.781 O=C(Cl)C1=CC=C2C=CC=NC2=C1 MC106305 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 O=C(Cl)C1=CC=C2C=NC=CC2=C1 MC106031 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,0,0,0,0,0|2,0,0]=2 8 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,0,0,0,0,0|2,0,0]=2 9 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,0,0,0,0,0|2,0,0]=2 10 B14R2.781 O=C(O)C1=CC=C2C=NC=NC2=C1 MC102441 [0,0,0,0,0,0|3,0,0]=3 11 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS11933 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 MC425062 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,0,0,0,0,0|2,0,0]=2 14 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,0,0,0,0,0|3,0,0]=3 15 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS21460 [0,0,0,0,0,0|3,0,0]=3 16 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 MC442821 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=NC2=C1 CS10831 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.781 O=[N+]([O-])C1=CC=C2C=CN=CC2=C1 MC33378 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=CC2=C1 CS10953 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CS10062 [0,0,0,0,0,0|2,0,1]=3 21 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 CS21553 [0,0,0,0,0,0|3,0,1]=4 22 B14R2.781 OB(O)C1=CC=C2C=CN=CC2=C1 MC442956 [0,0,0,0,0,0|3,0,1]=4 23 B14R2.781 OB(O)C1=CC=C2C=NC=CC2=C1 MC442876 [0,0,0,0,0,0|3,0,1]=4 24 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 CS14234 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 CS17755 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 MC107457 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [1,0,0,0,0,0|0,0,2]=3 31 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [1,0,0,0,0,0|1,0,0]=2 32 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS12595 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.57 COC1=CC=C2C=NC=CC2=C1 CS18348 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS22118 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [1,0,0,0,0,0|1,0,1]=3 39 B13R2.57 N#CC1=CC=C2C=NC=CC2=C1 CS10713 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 CS19734 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [1,0,0,0,0,0|1,0,1]=3 42 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 MC116267 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 MC107192 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.57 NNC1=CC=C2C=CN=CC2=C1 MC107191 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 MC107190 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 MC103266 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [1,0,0,0,0,0|1,0,0]=2 53 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [1,0,0,0,0,0|1,0,0]=2 54 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [1,0,0,0,0,0|1,0,0]=2 55 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 MC111421 [1,0,0,0,0,0|2,0,0]=3 57 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [1,0,0,0,0,0|0,0,2]=3 58 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [1,0,0,0,0,0|1,0,2]=4 59 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [1,0,0,0,0,0|1,0,2]=4 60 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [1,0,0,0,0,0|1,0,1]=3 61 B15R2.627 CC1=C(B(O)O)C=CC2=CC=CC=C21 MC100344 [0,1,0,0,0,0|2,0,1]=4 62 B15R2.627 CC1=C(C(=O)O)C=CC2=CC=CC=C21 MC431943 [0,1,0,0,0,0|1,0,0]=2 63 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 CS16433 [0,1,0,0,0,0|1,0,0]=2 64 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 CS16169 [0,1,0,0,0,0|1,0,0]=2 65 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 CS11280 [0,1,0,0,0,0|2,0,0]=3 66 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O CS23023 [0,1,0,0,0,0|2,0,0]=3 67 B15R2.627 O=C(O)C1=NNC2=CC=CC=C2C1=O MC427220 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.627 O=[N+]([O-])C1=C(Cl)C2=CC=CC=C2N=C1 CS21370 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.627 O=[N+]([O-])C1=C(O)C2=C(C=C1)N=CC=C2 MC106779 [0,1,0,0,0,0|3,0,0]=4 70 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2N=C1 MC41793 [0,1,0,0,0,0|3,0,0]=4 71 B15R2.984 CC(=O)C1=CC2=CN=CC=C2N=C1C MC425220 [0,1,0,0,0,0|2,0,0]=3 72 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O MC431948 [0,1,0,0,0,0|1,0,0]=2 73 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] MC100893 [0,1,0,0,0,0|3,0,0]=4 74 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS16286 [0,1,0,0,0,0|1,0,0]=2 75 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1Cl MC110562 [0,1,0,0,0,0|2,0,0]=3 76 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl CS14790 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 MC33372 [0,1,0,0,0,0|1,0,0]=2 78 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 CS16739 [0,1,0,0,0,0|2,0,0]=3 79 B15R2.4441 NS(=O)(=O)C1=CC2=CC=CC=C2C=C1 MC21157 [0,1,0,0,0,0|2,0,0]=3 80 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CC=C2C=C1 CS11267 [0,1,0,0,0,0|2,0,0]=3 81 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 CS21707 [0,1,0,0,0,0|2,0,0]=3 82 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 MC40424 [0,1,0,0,0,0|2,0,0]=3 83 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=NC2=C1 MC106308 [0,1,0,0,0,0|2,0,0]=3 84 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=C1 MC111503 [0,1,0,0,0,0|1,0,0]=2 85 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=N1 CS17427 [0,1,0,0,0,0|2,0,0]=3 86 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 CS12395 [0,1,0,0,0,0|2,0,0]=3 87 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 MC441104 [0,1,0,0,0,0|1,0,0]=2 88 B15R2.7174 O=C(O)C1=CC=C2C=CC(O)=NC2=C1 MC102751 [0,1,0,0,0,0|2,0,0]=3 89 B15R2.7174 O=C(O)C1=CC=C2C=NC(F)=CC2=C1 MC432290 [0,1,0,0,0,0|2,0,0]=3 90 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2C=C1 CS15617 [0,1,0,0,0,0|2,0,0]=3 91 B15R2.7174 O=[N+]([O-])C1=CC=C2C=CC(Cl)=NC2=C1 MC115946 [0,1,0,0,0,0|3,0,0]=4 92 B15R2.7174 O=[N+]([O-])C1=CC=C2N=CC(Br)=CC2=C1 MC105721 [0,1,0,0,0,0|3,0,0]=4 93 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 MC428178 [0,1,0,0,0,0|0,0,0]=1 94 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 MC428179 [0,1,0,0,0,0|0,0,0]=1 95 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 CS21684 [0,1,0,0,0,0|2,0,0]=3 96 B15R2.7180 CN(C)C1=CC2=CC=C(Br)C=C2C=C1 MC106996 [0,1,0,0,0,0|2,0,0]=3 97 B15R2.7180 N=C(N)c1ccc2cc(O)ccc2c1 MC10373 [0,1,0,0,0,0|2,0,0]=3 98 B15R2.7180 NC1=NC2=CC=C(C(=O)O)C=C2C=C1 MC106806 [0,1,0,0,0,0|2,0,0]=3 99 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=N1 CS14423 [0,1,0,0,0,0|2,0,0]=3 100 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2C=C1 MC442586 [0,1,0,0,0,0|1,0,0]=2 101 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2C=N1 MC431272 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 CS11551 [0,1,0,0,0,0|1,0,0]=2 103 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 CS12217 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=NC2=C1 MC110603 [0,1,0,0,0,0|3,0,0]=4 105 B15R2.7180 O=C(O)C1=CC=C2NC(O)=CCC2=C1 CS15458 [0,1,0,0,0,0|2,0,1]=4 106 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 CS19976 [0,1,0,0,0,0|2,0,0]=3 107 B15R2.7180 O=C1C=CC2=CC([N+](=O)[O-])=CC=C2N1 MC442449 [0,1,0,0,0,0|3,0,0]=4 108 B15R2.7180 O=[N+]([O-])C1=CC=C2N=C(Cl)C=CC2=C1 CS12112 [0,1,0,0,0,0|3,0,0]=4 109 B15R2.7180 OB(O)C1=CC2=CC=C(O)C=C2C=C1 MC441460 [0,1,0,0,0,0|2,0,1]=4 110 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2C=C1 CS10277 [0,1,0,0,0,0|1,0,0]=2 111 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2N=C1 CS17428 [0,1,0,0,0,0|2,0,0]=3 112 B15R2.13598 O=C(O)C1=CC=C2C(=C1)N=CN=C2Cl MC106294 [0,1,0,0,0,0|3,0,0]=4 113 B15R2.13598 O=C(O)C1=NC2=CC=CC(Br)=C2C=C1 CS14559 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.14951 NC1=CC(C(=O)O)=NC2=CC=CC=C12 MC431374 [0,1,0,0,0,0|2,0,0]=3 115 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 CS10056 [0,1,0,0,0,0|2,0,0]=3 116 B15R2.14951 O=[N+]([O-])C1=CC(Br)=C2N=CC=CC2=C1 MC107094 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.61353 CC1=CC=CC2=CC=C(C(=O)O)C=C12 MC431946 [0,1,0,0,0,0|1,0,0]=2 118 B15R2.61353 NC1=NC=CC2=CC=C([N+](=O)[O-])C=C21 MC442545 [0,1,0,0,0,0|3,0,0]=4 119 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 CS12357 [0,1,0,0,0,0|2,0,0]=3 120 B15R2.61353 O=C(O)C1=CC=C2N=CNC(=O)C2=C1 MC100190 [0,1,0,0,0,0|3,0,0]=4 121 B15R2.61353 O=C1C=COC2=C1C=C([N+](=O)[O-])C=C2 MC41802 [0,1,0,0,0,0|3,0,0]=4 122 B15R2.61353 O=C1NC=CC2=CC=C([N+](=O)[O-])C=C12 MC442543 [0,1,0,0,0,0|3,0,0]=4 123 B15R2.61353 O=[N+]([O-])C1=CC=C2C=CN=C(Cl)C2=C1 MC442544 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 MC20077 [0,0,1,0,0,0|3,0,0]=4 125 B13R2.72 CC(=O)C1=CN=C2C=CC=NN12 MC427382 [0,0,0,0,1,0|3,0,0]=4 126 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 CS10069 [0,0,0,0,1,0|1,0,0]=2 127 B13R2.72 CC(=O)C1=CNC2=NC=CC=C12 CS11312 [0,0,0,0,1,0|2,0,0]=3 128 B13R2.72 CC(=O)C1=CNC2=NC=CN=C12 MC102664 [0,0,0,0,1,0|3,0,0]=4 129 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 CS20379 [0,0,0,0,1,0|2,0,0]=3 130 B13R2.72 NC(=O)C1=NNC2=CC=CC=C21 MC427557 [0,0,0,0,1,0|3,0,0]=4 131 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 CS11483 [0,0,0,0,1,0|3,0,0]=4 132 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 CS18030 [0,0,0,0,1,0|3,0,0]=4 133 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 CS11476 [0,0,0,0,1,0|3,0,0]=4 134 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 CS21852 [0,0,0,0,1,0|3,0,0]=4 135 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 CS22270 [0,0,0,0,1,0|2,0,0]=3 136 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 CS12277 [0,0,0,0,1,0|3,0,0]=4 137 B13R2.72 O=C(O)C1=CNC2=NC=CC=C12 CS20730 [0,0,0,0,1,0|3,0,0]=4 138 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CS10958 [0,0,0,0,1,0|2,0,0]=3 139 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 CS10762 [0,0,0,0,1,0|3,0,0]=4 140 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 CS20483 [0,0,0,0,1,0|3,0,0]=4 141 B13R2.72 O=[N+]([O-])C1=CNC2=CC=CC=C21 MC107308 [0,0,0,0,1,0|3,0,0]=4 142 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 MC442785 [0,0,0,0,1,0|1,0,2]=4 143 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 MC427236 [0,0,0,0,1,0|2,0,0]=3 144 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 CS11018 [0,0,0,0,1,0|2,0,1]=4 145 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 CS16602 [0,0,0,0,1,0|2,0,0]=3 146 B13R2.430 CC(=O)C1=CC2=NC=CN2C=C1 MC445677 [0,0,0,0,1,0|2,0,0]=3 147 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 CS16097 [0,0,0,0,1,0|1,0,0]=2 148 B13R2.430 CC(=O)C1=CC=C2C=NNC2=C1 MC107017 [0,0,0,0,1,0|2,0,0]=3 149 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 CS19941 [0,0,0,0,1,0|1,0,0]=2 150 B13R2.430 CC(=O)C1=CC=C2NN=CC2=C1 MC431159 [0,0,0,0,1,0|2,0,0]=3 151 B13R2.430 CC(=O)C1=CN2C=CN=C2C=C1 MC443862 [0,0,0,0,1,0|2,0,0]=3 152 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 CS16894 [0,0,0,0,1,0|3,0,0]=4 153 B13R2.430 NC(=O)C1=CC=C2NC=CC2=C1 MC107061 [0,0,0,0,1,0|2,0,0]=3 154 B13R2.430 O=C(Cl)C1=CC=C2C=CNC2=C1 MC106292 [0,0,0,0,1,0|2,0,0]=3 155 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 MC31130 [0,0,0,0,1,0|3,0,0]=4 156 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 CS13765 [0,0,0,0,1,0|3,0,0]=4 157 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CS21477 [0,0,0,0,1,0|2,0,0]=3 158 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 MC441149 [0,0,0,0,1,0|2,0,0]=3 159 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 CS10225 [0,0,0,0,1,0|3,0,0]=4 160 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 CS15936 [0,0,0,0,1,0|3,0,0]=4 161 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 MC441167 [0,0,0,0,1,0|2,0,0]=3 162 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 MC441150 [0,0,0,0,1,0|2,0,0]=3 163 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 MC101990 [0,0,0,0,1,0|3,0,0]=4 164 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 MC443245 [0,0,0,0,1,0|3,0,0]=4 165 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 CS22275 [0,0,0,0,1,0|2,0,0]=3 166 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 MC444446 [0,0,0,0,1,0|3,0,0]=4 167 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 MC444507 [0,0,0,0,1,0|3,0,0]=4 168 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CS22274 [0,0,0,0,1,0|2,0,0]=3 169 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 CS13050 [0,0,0,0,1,0|3,0,0]=4 170 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 CS18462 [0,0,0,0,1,0|3,0,0]=4 171 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 CS16880 [0,0,0,0,1,0|3,0,0]=4 172 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 CS14661 [0,0,0,0,1,0|3,0,0]=4 173 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OC=C2 MC443510 [0,0,0,0,1,0|3,0,0]=4 174 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 MC105722 [0,0,0,0,1,0|3,0,0]=4 175 B13R2.430 O=[N+]([O-])C1=CC=C2C=CNC2=C1 CS10759 [0,0,0,0,1,0|3,0,0]=4 176 B13R2.430 O=[N+]([O-])C1=CC=C2NC=CC2=C1 CS22073 [0,0,0,0,1,0|3,0,0]=4 177 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,0,0,0,1,0|1,0,0]=2 178 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,0,1,0|1,0,0]=2 179 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,0,0,0,1,0|2,0,0]=3 180 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,0,0,0,1,0|2,0,0]=3 181 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,0,0,0,1,0|0,0,3]=4 182 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,0,0,0,1,0|3,0,0]=4 183 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,0,1,0|2,0,0]=3 184 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,0,1,0|2,0,0]=3 185 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,0,1,0|3,0,0]=4 186 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,0,1,0|3,0,0]=4 187 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,0,1,0|2,0,0]=3 188 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,0,1,0|3,0,0]=4 189 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,0,1,0|3,0,0]=4 190 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,0,1,0|3,0,0]=4 191 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,0,1,0|3,0,0]=4 192 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,0,1,0|3,0,0]=4 193 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,0,1,0|3,0,0]=4 194 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,0,1,0|3,0,0]=4 195 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,0,0,0,1,0|3,0,0]=4 196 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,0,1,0|3,0,0]=4 197 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,0,0,0,1,0|3,0,0]=4 198 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,0,0,0,1,0|3,0,0]=4 199 B15R2.1668 CC(=O)NC1=CC=C2N=CC=CC2=C1 MC106797 [0,0,0,0,0,1|1,0,0]=2 200 B15R2.1668 CC(=O)OC1=CC=C2N=CC=CC2=C1 MC106776 [0,0,0,0,0,1|1,0,0]=2 201 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 MC431732 [0,0,0,0,0,1|2,0,1]=4 202 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS11578 [0,0,0,0,0,1|1,0,0]=2 203 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 CS10766 [0,0,0,0,0,1|2,0,0]=3 204 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 CS17945 [0,0,0,0,0,1|2,0,0]=3 205 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 CS17988 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [1,0,1,0,0,0|1,0,1]=4 207 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [1,0,1,0,0,0|2,0,0]=4 208 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [1,0,1,0,0,0|1,0,1]=4 209 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 MC425419 [1,0,1,0,0,0|1,0,1]=4 210 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [2,0,0,0,0,0|1,0,0]=3 211 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [2,0,0,0,0,0|2,0,0]=4 212 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [2,0,0,0,0,0|2,0,0]=4 213 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [2,0,0,0,0,0|2,0,0]=4 214 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [2,0,0,0,0,0|2,0,0]=4 215 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [2,0,0,0,0,0|2,0,0]=4 216 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [2,0,0,0,0,0|2,0,0]=4 217 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [2,0,0,0,0,0|2,0,0]=4 218 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [2,0,0,0,0,0|1,0,0]=3 219 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [2,0,0,0,0,0|1,0,0]=3 220 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [2,0,0,0,0,0|1,0,0]=3 221 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [2,0,0,0,0,0|1,0,0]=3 222 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [2,0,0,0,0,0|1,0,0]=3 223 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [2,0,0,0,0,0|2,0,0]=4 224 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [2,0,0,0,0,0|1,0,0]=3 225 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [2,0,0,0,0,0|2,0,0]=4 226 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [2,0,0,0,0,0|2,0,0]=4 227 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [2,0,0,0,0,0|2,0,0]=4 228 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [2,0,0,0,0,0|2,0,0]=4 229 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [2,0,0,0,0,0|2,0,0]=4 230 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [2,0,0,0,0,0|2,0,0]=4 231 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [2,0,0,0,0,0|2,0,0]=4 232 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [2,0,0,0,0,0|2,0,0]=4 233 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [2,0,0,0,0,0|2,0,0]=4 234 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [2,0,0,0,0,0|2,0,0]=4 235 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [2,0,0,0,0,0|2,0,0]=4 236 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [2,0,0,0,0,0|2,0,0]=4 237 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [2,0,0,0,0,0|1,0,0]=3 238 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [2,0,0,0,0,0|2,0,0]=4 239 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [2,0,0,0,0,0|2,0,0]=4 240 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [2,0,0,0,0,0|2,0,0]=4 241 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [2,0,0,0,0,0|2,0,0]=4 242 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [2,0,0,0,0,0|2,0,0]=4 243 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [2,0,0,0,0,0|2,0,0]=4 244 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [2,0,0,0,0,0|2,0,0]=4 245 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [2,0,0,0,0,0|2,0,0]=4 246 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [2,0,0,0,0,0|2,0,0]=4 247 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [2,0,0,0,0,0|0,0,1]=3 248 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [2,0,0,0,0,0|1,0,1]=4 249 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [2,0,0,0,0,0|1,0,1]=4 250 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [2,0,0,0,0,0|1,0,1]=4 251 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [2,0,0,0,0,0|1,0,1]=4 252 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [2,0,0,0,0,0|1,0,1]=4 253 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 MC430691 [0,1,1,0,0,0|1,0,0]=3 254 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 CS11559 [1,1,0,0,0,0|1,0,0]=3 255 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br MC106848 [1,1,0,0,0,0|2,0,0]=4 256 B14R2.92 COC1=CC=C2C=CN=CC2=C1Br MC443699 [1,1,0,0,0,0|2,0,0]=4 257 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 MC445278 [1,1,0,0,0,0|1,0,1]=4 258 B14R2.92 NC1=C2N=CC=CC2=CC=C1C=O MC440081 [1,1,0,0,0,0|1,0,0]=3 259 B14R2.112 NCCC1=CC=C2C=CC=NC2=C1 MC116294 [1,1,0,0,0,0|1,0,1]=4 260 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS19646 [1,1,0,0,0,0|1,0,1]=4 261 B14R2.112 ONCC1=CC2=CC=CC=C2C=C1 MC107668 [1,1,0,0,0,0|0,0,2]=4 262 B14R2.112 S=C=Nc1ccc2ccccc2c1 MC440427 [1,1,0,0,0,0|0,1,1]=4 263 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 CS16657 [1,1,0,0,0,0|2,0,0]=4 264 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 MC33414 [1,1,0,0,0,0|2,0,0]=4 265 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 MC105770 [1,1,0,0,0,0|2,0,0]=4 266 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 CS17025 [1,1,0,0,0,0|2,0,0]=4 267 B14R2.134 N#CC1=CC2=CC(O)=CC=C2C=C1 MC441105 [1,1,0,0,0,0|1,0,1]=4 268 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 MC114055 [1,1,0,0,0,0|1,0,0]=3 269 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [1,1,0,0,0,0|0,0,0]=2 270 B14R2.142 O=CC1=CC=C2C=CNC(=O)C2=C1 MC111206 [1,1,0,0,0,0|1,0,0]=3 271 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 CS13111 [1,1,0,0,0,0|1,0,0]=3 272 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 CS14701 [1,1,0,0,0,0|2,0,0]=4 273 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 MC21031 [1,1,0,0,0,0|2,0,0]=4 274 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [1,1,0,0,0,0|0,0,0]=2 275 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 MC113626 [1,1,0,0,0,0|1,0,0]=3 276 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [1,1,0,0,0,0|0,0,0]=2 277 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl CS11246 [1,1,0,0,0,0|1,0,0]=3 278 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS15544 [1,1,0,0,0,0|2,0,0]=4 279 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [1,1,0,0,0,0|1,0,0]=3 280 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 MC425083 [1,1,0,0,0,0|2,0,0]=4 281 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 MC428257 [1,1,0,0,0,0|2,0,0]=4 282 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 CS11294 [1,1,0,0,0,0|2,0,0]=4 283 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 MC425081 [1,1,0,0,0,0|2,0,0]=4 284 B14R2.1801 O=CC1=CC=C2C(=O)NC=CC2=C1 MC111205 [1,1,0,0,0,0|1,0,0]=3 285 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 CS21683 [1,1,0,0,0,0|1,0,0]=3 286 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 CS17260 [1,1,0,0,0,0|2,0,0]=4 287 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [1,1,0,0,0,0|1,0,0]=3 288 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 MC442727 [1,1,0,0,0,0|2,0,0]=4 289 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 MC425224 [1,1,0,0,0,0|2,0,0]=4 290 B14R2.2332 N#CC1=CC2=CC=C(Br)C=C2C=C1 MC111963 [1,1,0,0,0,0|1,0,1]=4 291 B14R2.2332 N#CC1=CC2=CC=C(O)C=C2C=C1 CS11544 [1,1,0,0,0,0|1,0,1]=4 292 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [1,1,0,0,0,0|0,0,0]=2 293 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 CS16342 [0,1,0,0,1,0|1,0,0]=3 294 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 CS12577 [0,1,0,0,1,0|2,0,0]=4 295 B14R2.95 COC(=O)C1=CNC2=CN=CC=C21 CS15334 [0,1,0,0,1,0|2,0,0]=4 296 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 MC31197 [0,1,0,0,1,0|2,0,0]=4 297 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 CS18305 [0,1,0,0,1,0|2,0,0]=4 298 B14R2.95 NCC(=O)C1=CNC2=CC=CC=C21 MC33265 [0,1,0,0,1,0|1,0,0]=3 299 B14R2.95 NNC(=O)C1=CNC2=CC=CC=C21 CS18019 [0,1,0,0,1,0|2,0,0]=4 300 B14R2.95 O=C(CBr)C1=CSC2=C1C=CC=C2 CS20602 [0,1,0,0,1,0|1,0,0]=3 301 B14R2.300 CC(=O)N1N=CC2=CC(Cl)=CC=C21 CS12410 [0,1,0,0,1,0|2,0,0]=4 302 B14R2.300 CC1=CC=C2C(=C1)NC=C2C(=O)O CS10741 [0,1,0,0,1,0|2,0,0]=4 303 B14R2.300 O=C(O)C1=CNC2=CC(Br)=CC=C21 CS13418 [0,1,0,0,1,0|2,0,0]=4 304 B14R2.300 O=C(O)C1=CNC2=CC(Cl)=CC=C21 CS10690 [0,1,0,0,1,0|2,0,0]=4 305 B14R2.642 CC(=O)N1C(C)=NC2=C1C=CC=C2 MC33418 [0,1,0,0,1,0|2,0,0]=4 306 B14R2.5816 CC(=O)C1=CNC2=CC=C(Cl)C=C21 CS20431 [0,1,0,0,1,0|1,0,0]=3 307 B14R2.5816 CC1=CC=C2NC=C(C(=O)O)C2=C1 CS17798 [0,1,0,0,1,0|2,0,0]=4 308 B14R2.5816 O=C(O)C1=CNC2=CC=C(Br)C=C21 CS17804 [0,1,0,0,1,0|2,0,0]=4 309 B14R2.5816 O=C(O)C1=CNC2=CC=C(F)C=C21 MC20433 [0,1,0,0,1,0|2,0,0]=4 310 B14R2.5816 O=C(O)C1=COC2=C1C=C(Br)C=C2 MC115317 [0,1,0,0,1,0|2,0,0]=4 311 B14R2.5816 O=C(O)C1=CSC2=C1C=C(O)C=C2 MC115821 [0,1,0,0,1,0|2,0,0]=4 312 B14R2.8032 CC1=C2NC=C(C(=O)O)C2=CC=C1 CS10826 [0,1,0,0,1,0|2,0,0]=4 313 B14R2.8032 O=C(O)C1=CNC2=C(Br)C=CC=C12 MC106558 [0,1,0,0,1,0|2,0,0]=4 314 B14R2.8053 CC1=C2C(=CC=C1)NC=C2C(=O)O CS22974 [0,1,0,0,1,0|2,0,0]=4 315 B14R2.8053 O=C(O)C1=CNC2=CC=CC(Cl)=C21 CS22788 [0,1,0,0,1,0|2,0,0]=4 316 B14R2.8053 O=C(O)C1=CNC2=CC=CC(F)=C21 CS15886 [0,1,0,0,1,0|2,0,0]=4 317 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 MC430696 [0,1,0,0,1,0|1,0,0]=3 318 B14R2.25733 CC(=O)C1=NN(C)C2=CC=CC=C21 CS13048 [0,1,0,0,1,0|2,0,0]=4 319 B14R2.25733 CC(=O)N1C=C(O)C2=CC=CC=C21 CS11349 [0,1,0,0,1,0|1,0,0]=3 320 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 CS20587 [0,1,0,0,1,0|1,0,1]=4 321 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)S2 MC10123 [0,1,0,0,1,0|2,0,0]=4 322 B14R2.601 CC(=O)C1=CC2=CN(C)N=C2C=C1 MC104563 [0,1,0,0,1,0|2,0,0]=4 323 B14R2.601 CC(=O)C1=CC2=NN(C)C=C2C=C1 MC104565 [0,1,0,0,1,0|2,0,0]=4 324 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 CS15801 [0,1,0,0,1,0|2,0,0]=4 325 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 CS11587 [0,1,0,0,1,0|2,0,0]=4 326 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=N1 MC115743 [0,1,0,0,1,0|2,0,0]=4 327 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 CS16726 [0,1,0,0,1,0|1,0,0]=3 328 B14R2.966 COC(=O)C1=CC2=CC=CN2C=C1 CS11674 [0,1,0,0,1,0|1,0,0]=3 329 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 CS13334 [0,1,0,0,1,0|1,0,0]=3 330 B14R2.966 COC(=O)C1=CC=C2C=NNC2=C1 CS18042 [0,1,0,0,1,0|2,0,0]=4 331 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 CS11358 [0,1,0,0,1,0|1,0,0]=3 332 B14R2.966 COC(=O)C1=CC=C2NN=CC2=C1 CS18324 [0,1,0,0,1,0|2,0,0]=4 333 B14R2.966 COC(=O)C1=CN2C=CN=C2C=C1 MC444558 [0,1,0,0,1,0|2,0,0]=4 334 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 CS17035 [0,1,0,0,1,0|2,0,0]=4 335 B14R2.966 COC(=O)C1=NC=C2NC=CC2=C1 CS11589 [0,1,0,0,1,0|2,0,0]=4 336 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)N=CN2 MC111905 [0,1,0,0,1,0|2,0,0]=4 337 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)SC=C2 MC430353 [0,1,0,0,1,0|1,0,0]=3 338 B14R2.5719 CC(=O)C1=CC2=C(C=C1)N(C)C=N2 MC111903 [0,1,0,0,1,0|2,0,0]=4 339 B14R2.5719 CC(=O)C1=CC=C2C(=C1)C=CN2C MC111191 [0,1,0,0,1,0|1,0,0]=3 340 B14R2.5719 CC1=CNC2=CC(C(=O)O)=CC=C12 MC113394 [0,1,0,0,1,0|2,0,0]=4 341 B14R2.5998 O=C(Cl)C1=CC=C2C=CNC2=C1F MC106030 [0,1,0,0,1,0|2,0,0]=4 342 B14R2.5998 O=C(O)C1=CC=C2C=CNC2=C1Cl MC102538 [0,1,0,0,1,0|2,0,0]=4 343 B14R2.5998 O=C(O)C1=CC=C2C=CNC2=C1F MC105970 [0,1,0,0,1,0|2,0,0]=4 344 B14R2.8824 O=C(O)C1=CC(O)=C2C=CNC2=C1 MC113364 [0,1,0,0,1,0|2,0,0]=4 345 B14R2.24358 CC(=O)C1=CC=C2C=CN(C)C2=C1 MC111192 [0,1,0,0,1,0|1,0,0]=3 346 B14R2.24358 CN1C=CC2=CC=C(C(=O)O)C=C21 CS20750 [0,1,0,0,1,0|2,0,0]=4 347 B14R2.24358 O=C(O)C1=CC=C2NC=C(Br)C2=C1 MC425471 [0,1,0,0,1,0|2,0,0]=4 348 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,1,0,0,1,0|2,0,0]=4 349 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,0,1,0|2,0,0]=4 350 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,1,0,0,1,0|2,0,0]=4 351 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,0,1,0|1,0,0]=3 352 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,0,1,0|1,0,0]=3 353 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,1,0,0,1,0|2,0,0]=4 354 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,0,1,0|2,0,0]=4 355 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,0,1,0|2,0,0]=4 356 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,1,0,0,1,0|2,0,0]=4 357 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,1,0,0,1,0|2,0,0]=4 358 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,1,0,0,1,0|2,0,0]=4 359 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,0,1,0|2,0,0]=4 360 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,0,1,0|2,0,0]=4 361 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,1,0,0,1,0|2,0,0]=4 362 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,1,0,0,1,0|2,0,0]=4 363 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,1,0,0,1,0|2,0,0]=4 364 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,1,0,0,1,0|2,0,0]=4 365 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,1,0,0,1,0|2,0,0]=4 366 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,1,0,0,1,0|2,0,0]=4 367 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,1,0,0,1,0|2,0,0]=4 368 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,1,0,0,1,0|2,0,0]=4 369 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,1,0,0,1,0|2,0,0]=4 370 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,1,0,0,1,0|2,0,0]=4 371 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,1,0,0,1,0|2,0,0]=4 372 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,1,0,0,1,0|2,0,0]=4 373 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,0,1,0|2,0,0]=4 374 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,0,1,0|2,0,0]=4 375 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,0,1,0|2,0,0]=4 376 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,0,1,0|2,0,0]=4 377 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,0,1,0|2,0,0]=4 378 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,1,0,0,1,0|2,0,0]=4 379 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,1,0,0,1,0|2,0,0]=4 380 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,1,0,0,1,0|2,0,0]=4 381 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,1,0,0,1,0|2,0,0]=4 382 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,1,0,0,1,0|2,0,0]=4 383 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,1,0,0,1,0|2,0,0]=4 384 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,1,0,0,1,0|2,0,0]=4 385 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,1,0,0,1,0|2,0,0]=4 386 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,1,0,0,1,0|2,0,0]=4 387 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,1,0,0,1,0|2,0,0]=4 388 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,0,1,0|2,0,0]=4 389 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,1,0,0,1,0|2,0,0]=4 390 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,1,0,0,1,0|2,0,0]=4 391 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,1,0,0,1,0|2,0,0]=4 392 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,1,0,0,1,0|2,0,0]=4 393 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,1,0,0,1,0|2,0,0]=4 394 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,0,1,0|2,0,0]=4 395 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,0,1,0|2,0,0]=4 396 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,0,1,0|2,0,0]=4 397 B16R2.5347 COC(=O)CC1=NC2=CC=CN=C2C=C1 MC102376 [0,1,0,0,0,1|2,0,0]=4 398 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 MC437708 [0,1,0,0,0,1|0,0,0]=2 399 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 MC437709 [0,1,0,0,0,1|0,0,0]=2 400 B16R2.11988 O=C(O)CC1=CC2=CC=C(Br)C=C2C=C1 MC115313 [0,1,0,0,0,1|1,0,0]=3 401 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 CS21654 [0,1,0,0,0,1|1,0,1]=4 402 B16R2.1229 CNC(=O)C1=C(O)C2=CC=CC=C2C=C1 MC443659 [0,2,0,0,0,0|0,0,0]=2 403 B16R2.1229 COC(=O)C1=C(Br)C2=CC=CC=C2C=C1 MC440148 [0,2,0,0,0,0|0,0,0]=2 404 B16R2.1229 COC(=O)C1=C(F)C2=CC=CC=C2C=C1 MC431947 [0,2,0,0,0,0|0,0,0]=2 405 B16R2.1229 O=C(CBr)C1=C(O)C2=CC=CC=C2C=C1 MC113474 [0,2,0,0,0,0|0,0,0]=2 406 B16R2.3351 O=S(=O)(Cl)C1=C(O)C2=CC=CC=C2C=C1 MC111624 [0,2,0,0,0,0|2,0,0]=4 407 B16R2.12044 CC1=C(C(=O)O)C=NC2=CC=C(Br)C=C21 MC442533 [0,2,0,0,0,0|2,0,0]=4 408 B16R2.12044 O=C(O)C1=C(Cl)C2=CC(Br)=CC=C2N=C1 MC114188 [0,2,0,0,0,0|2,0,0]=4 409 B16R2.12044 O=C(O)C1=C(O)C2=CC(F)=CC=C2N=C1 CS11255 [0,2,0,0,0,0|2,0,0]=4 410 B16R2.22861 NC1=C(C(=O)O)C=NC2=C(Br)C=CC=C12 MC107908 [0,2,0,0,0,0|2,0,0]=4 411 B16R2.23331 O=C(O)C1=C(O)C2=CC=CC=C2C(F)=C1 MC107677 [0,2,0,0,0,0|1,0,0]=3 412 B16R2.23372 CC(=O)C1=C(O)C2=CC=CC=C2NC1=O CS15164 [0,2,0,0,0,0|1,0,0]=3 413 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(Br)C=C2N=C1 CS19343 [0,2,0,0,0,0|2,0,0]=4 414 B16R2.133456 O=C(O)C1=CNC2=CC(Br)=CC=C2C1=O CS13009 [0,2,0,0,0,0|2,0,0]=4 415 B16R2.23521 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1O MC106575 [0,2,0,0,0,0|2,0,0]=4 416 B16R2.767 CCCC(=O)C1=CC=C2N=CC=CC2=C1 MC112166 [0,2,0,0,0,0|1,0,0]=3 417 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2C=N1 MC33250 [0,2,0,0,0,0|1,0,0]=3 418 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2CC1 MC107644 [0,2,0,0,0,0|0,0,2]=4 419 B16R2.767 CCOC(=O)C1=CC=C2C=NC=CC2=C1 MC427225 [0,2,0,0,0,0|1,0,0]=3 420 B16R2.767 CCOC(=O)C1=CC=C2N=CC=CC2=C1 CS11930 [0,2,0,0,0,0|1,0,0]=3 421 B16R2.767 CCOC(=O)C1=NC2=CN=CC=C2C=C1 MC110592 [0,2,0,0,0,0|2,0,0]=4 422 B16R2.1205 COC(=O)C1=CC2=CC(Br)=CC=C2C=C1 MC111504 [0,2,0,0,0,0|0,0,0]=2 423 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 MC443170 [0,2,0,0,0,0|0,0,0]=2 424 B16R2.1205 COC(=O)C1=CC=C2C=NC(Cl)=NC2=C1 MC113009 [0,2,0,0,0,0|2,0,0]=4 425 B16R2.1212 COC(=O)C1=CC=C2C=CNC(=O)C2=C1 CS17203 [0,2,0,0,0,0|1,0,0]=3 426 B16R2.1212 COC(=O)C1=CC=C2N=CC=C(Cl)C2=C1 MC107559 [0,2,0,0,0,0|1,0,0]=3 427 B16R2.1212 COC(=O)C1=CC=C2N=CC=C(O)C2=C1 MC107560 [0,2,0,0,0,0|1,0,0]=3 428 B16R2.1212 COC(=O)C1=CC=C2N=CN=C(Cl)C2=C1 MC121073 [0,2,0,0,0,0|2,0,0]=4 429 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)C=CC2=C1 CS13145 [0,2,0,0,0,0|1,0,0]=3 430 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)N=CC2=C1 MC113008 [0,2,0,0,0,0|2,0,0]=4 431 B16R2.33799 COC(=O)C1=NC2=CC=C(O)C=C2C=C1 MC104943 [0,2,0,0,0,0|1,0,0]=3 432 B16R2.33887 COC(=O)C1=CC2=CC=CC=C2C(=O)N1 MC429374 [0,2,0,0,0,0|1,0,0]=3 433 B16R2.173132 COC(=O)C1=CC=C2C(=C1)N=CN=C2Cl MC100154 [0,2,0,0,0,0|2,0,0]=4 434 B16R2.173132 COC(=O)C1=NC2=CC=CC(Br)=C2C=C1 CS15655 [0,2,0,0,0,0|1,0,0]=3 435 B16R2.11987 O=S(=O)([O-])C1=CC2=CC=C(O)C=C2C=C1 CS13634 [0,2,0,0,0,0|2,0,0]=4 436 B16R2.22857 CS(=O)(=O)C1=CC=C2C(=C1)C=CN=C2Cl MC116469 [0,2,0,0,0,0|2,0,0]=4 437 B16R2.3885 O=C(O)C1=CC2=CC(Br)=C(Br)C=C2C=C1 MC115306 [0,2,0,0,0,0|1,0,0]=3 438 B16R2.7476 COC1=CC=C2C=CC(C(=O)O)=CC2=C1 MC443443 [0,2,0,0,0,0|1,0,0]=3 439 B16R2.11976 CN1C=CC2=CC=C(C(=O)O)C=C2C1=O MC111216 [0,2,0,0,0,0|2,0,0]=4 440 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(Cl)C=C2O1 CS12981 [0,2,0,0,0,0|2,0,0]=4 441 B16R2.7486 CN(C)C1=CC=C2C=C(C=O)C=CC2=C1 MC115927 [0,2,0,0,0,0|2,0,0]=4 442 B16R2.11989 CN1C=CC2=CC(C(=O)O)=CC=C2C1=O MC111213 [0,2,0,0,0,0|2,0,0]=4 443 B16R2.23501 O=C(O)C1=NC2=CC=C(Br)C=C2C(Cl)=C1 MC114509 [0,2,0,0,0,0|2,0,0]=4 444 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 MC426069 [0,0,1,1,0,0|2,0,0]=4 445 B14R2.24350 CC(=O)C1=C2C(=CC=C1)C=CN2C MC111193 [0,0,1,1,0,0|1,0,1]=4 446 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 CS20585 [0,0,1,1,0,0|0,0,0]=2 447 B14R2.31359 CC(N)C1=CC=CC2=CC=CC=C21 CS14252 [0,0,1,1,0,0|1,0,1]=4 448 B14R2.31359 CC(O)C1=CC=CC2=CC=CC=C21 CS18766 [0,0,1,1,0,0|0,0,2]=4 449 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=C1 CS11273 [0,0,1,1,0,0|2,0,0]=4 450 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CC=N2 CS11278 [0,0,1,1,0,0|2,0,0]=4 451 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CN=C2 CS11275 [0,0,1,1,0,0|2,0,0]=4 452 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 CS16170 [0,0,1,1,0,0|1,0,0]=3 453 B14R2.31359 O=C(O)C1=CN=CC2=CC=CC=C21 CS18438 [0,0,1,1,0,0|2,0,0]=4 454 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 CS21774 [0,0,1,1,0,0|2,0,0]=4 455 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CC=CC=C21 MC427706 [0,0,1,1,0,0|2,0,0]=4 456 B12R2.1 O=CC1=C2C=CC=CN2C=N1 CS17748 [1,0,0,0,1,0|2,0,0]=4 457 B12R2.1 O=CC1=CN=C2C=CC=CN12 MC442515 [1,0,0,0,1,0|2,0,0]=4 458 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [1,0,0,0,1,0|1,0,0]=3 459 B12R2.1 O=CC1=CNC2=CN=CC=C12 CS15305 [1,0,0,0,1,0|2,0,0]=4 460 B12R2.1 O=CC1=CNC2=NC=CC=C12 CS10502 [1,0,0,0,1,0|2,0,0]=4 461 B12R2.1 O=CC1=COC2=NC=CC=C12 MC430546 [1,0,0,0,1,0|2,0,0]=4 462 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [1,0,0,0,1,0|1,0,0]=3 463 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [1,0,0,0,1,0|2,0,0]=4 464 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [1,0,0,0,1,0|2,0,0]=4 465 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,0,0,0,1,0|1,0,0]=3 466 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,0,1,0|1,0,0]=3 467 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [1,0,0,0,1,0|2,0,0]=4 468 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [1,0,0,0,1,0|2,0,0]=4 469 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [1,0,0,0,1,0|2,0,0]=4 470 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [1,0,0,0,1,0|2,0,0]=4 471 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [1,0,0,0,1,0|2,0,0]=4 472 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [1,0,0,0,1,0|2,0,0]=4 473 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [1,0,0,0,1,0|2,0,0]=4 474 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [1,0,0,0,1,0|2,0,0]=4 475 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [1,0,0,0,1,0|2,0,0]=4 476 B12R2.44 CSC1=CC=C2NC=CC2=C1 MC106667 [1,0,0,0,1,0|2,0,0]=4 477 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [1,0,0,0,1,0|2,0,0]=4 478 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 MC427239 [1,0,0,0,1,0|2,0,0]=4 479 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [1,0,0,0,1,0|1,0,0]=3 480 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 CS16843 [1,0,0,0,1,0|2,0,0]=4 481 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 MC115936 [1,0,0,0,1,0|2,0,0]=4 482 B12R2.44 O=CC1=CC2=C(C=C1)SN=C2 MC105912 [1,0,0,0,1,0|2,0,0]=4 483 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [1,0,0,0,1,0|1,0,0]=3 484 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [1,0,0,0,1,0|1,0,0]=3 485 B12R2.44 O=CC1=CC2=NC=CN2C=C1 MC443348 [1,0,0,0,1,0|2,0,0]=4 486 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS21527 [1,0,0,0,1,0|1,0,0]=3 487 B12R2.44 O=CC1=CC=C2C=CNC2=N1 MC115920 [1,0,0,0,1,0|2,0,0]=4 488 B12R2.44 O=CC1=CC=C2C=NNC2=C1 MC444140 [1,0,0,0,1,0|2,0,0]=4 489 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS21526 [1,0,0,0,1,0|1,0,0]=3 490 B12R2.44 O=CC1=CC=C2NN=CC2=C1 MC444139 [1,0,0,0,1,0|2,0,0]=4 491 B12R2.44 O=CC1=NC=C2OC=CC2=C1 CS14660 [1,0,0,0,1,0|2,0,0]=4 492 B14R2.1008 CC(=O)OC1=CC2=C(C=C1)SC=C2 MC111399 [0,0,0,0,1,1|1,0,0]=3 493 B14R2.1008 O=C(O)CC1=CC=C2C=CNC2=C1 CS15626 [0,0,0,0,1,1|2,0,0]=4